Chemical ID: 5160957

c1cc2c(cc1Cc3cc[nH]c3)OCO2
Chemical ID:
5160957
Name [?]:
3-(benzo[1,3]dioxol-5-ylmethyl)-1H-pyrrole
SMILES [?]:
c1cc2c(cc1Cc3cc[nH]c3)OCO2
InChi [?]:
InChI=1/C12H11NO2/c1-2-11-12(15-8-14-11)6-9(1)5-10-3-4-13-7-10/h1-4,6-7,13H,5,8H2
InChi Info:
AuxInfo=1/0/N:1,2,9,10,7,5,12,14,6,8,3,4,11,15,13/rA:15nCCCCCCCCCCNCOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d8s11;s4;s13;s3s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.45211
Area:369.888
Solvation:-2.7951
Coulombic:-27.4407
Bond Count [?]
All:17
Single:12
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:201.221
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.25
LogP (Chemaxon):2.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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